MMsINC Database Search


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MMsINC code: MMs01616181

Type: Neutral
Formula: C₂₃H₂₃NO₂

SMILES:

O(CCCC(=O)NC(c1ccccc1)c1ccccc1)c1ccccc1

InChI:

InChI=1/C23H23NO2/c25-22(17-10-18-26-21-15-8-3-9-16-21)24-23(19-11-4-1-5-12-19)20-13-6-2-7-14-20/h1-9,11-16,23H,10,17-18H2,(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.0786 kcal/mol

Physical Properties
Molecular Weight: 345.442 g/mol	logS: -5.22732	SlogP: 4.8469	Reactive groups: 0

Topological Properties
Globularity: 0.0660731	Sterimol/B1: 2.23324	Sterimol/B2: 3.92174	Sterimol/B3: 4.30474
Sterimol/B4: 9.10605	Sterimol/L: 18.823

Surface and Volume Properties
Accessible surface: 667.358	Positive charged surface: 387.68	Negative charged surface: 279.678	Volume: 358.625
Hydrophobic surface: 630.404	Hydrophilic surface: 36.954

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.